Wignacourt, Pascal Roussel, and Michel Lagrenée

摘要: A number of macrocyclic polyether compounds containing a 2, 5-bis (2-hydroxyphenyl)-1, 3, 4-thiadiazole moiety are quickly prepared by a nucleophilic substitution reaction involving ethylene or polyethyleglycol ditosylate and a biphenol, the 2, 5-bis (2-hydroxyphenyl)-1, 3, 4-thiadiazole, with solid anhydrous carbonate as a base under microwave irradiation. The quantum calculations at DFT level and the structure of different conformations of the 2, 5-bis (2-hydroxyphenyl)-1, 3, 4-thiadiazole were performed both in vacuum and acetonitrile solvent using PCM method. The structures are ascertained by spectroscopic properties. The crystal structure of one of the crown compounds has been determined and shows the sufur atom to be inside the macroring cavity.